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81436-88-6 | Butanedioic acid, bis[(3-methoxyphenyl)methylene]-
CAS No: 81436-88-6 Catalog No: AG005KK4 MDL No:
Product Description
Catalog Number:
AG005KK4
Chemical Name:
Butanedioic acid, bis[(3-methoxyphenyl)methylene]-
CAS Number:
81436-88-6
Molecular Formula:
C20H18O6
Molecular Weight:
354.3533
IUPAC Name:
2,3-bis[(3-methoxyphenyl)methylidene]butanedioic acid
InChI:
InChI=1S/C20H18O6/c1-25-15-7-3-5-13(9-15)11-17(19(21)22)18(20(23)24)12-14-6-4-8-16(10-14)26-2/h3-12H,1-2H3,(H,21,22)(H,23,24)
InChI Key:
GETMLFGUBKOEKT-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C=C(C(=Cc1cccc(c1)OC)C(=O)O)C(=O)O
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.11g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
354.358g/mol
Monoisotopic Mass:
354.11g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.4
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